SCHEMBL4771735

SCHEMBL4771735

Cc1cc(=O)n(CCc2ccccc2)c(=O)n1CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.56
ACHE P22303 1/20 0.56
KMT2A Q03164 5/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 3/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 2/20 0.51
RAB9A P51151 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
ALDH1A1 P00352 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CASR P41180 1/20 0.50
NOX4 Q9NPH5 1/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 1/20 0.45
BRD4 O60885 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL12079683 0.81 MAPT (0.56) KMT2ATSHRMEN1KDM4EMAPT
SCHEMBL10159514 0.80 MAPT (0.49) KMT2ATSHRMEN1KDM4EMAPT
SCHEMBL6449965 0.80 KMT2A (0.60) KMT2ATSHRMEN1KDM4EMAPT
SCHEMBL10159519 0.80 TSHR (0.45) KMT2ATSHRMEN1KDM4EMAPT
SCHEMBL7835720 0.79 KMT2A (0.69) BCHEACHEKMT2AMEN1KDM4E
SCHEMBL21693603 0.77 GNRHR (0.45) BCHEACHEKMT2A
SCHEMBL7830685 0.77 KMT2A (0.58) BCHEACHEKMT2ATSHRMEN1
SCHEMBL7831973 0.77 KMT2A (0.55) BCHEACHEKMT2ATSHRMEN1
SCHEMBL4770759 0.75 KMT2A (0.55) KMT2ATSHRMEN1KDM4EMAPT
SCHEMBL9392938 0.75 TSHR (0.45) KMT2ATSHRMEN1KDM4EMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1678181-B1 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2008-12-31 EP disclosed
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 BCHE 2579/4885ACHE 1383/4885KMT2A 1806/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.